N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2,2-dimethylcyclopentane-1-carboxamide

C16H23N3O2 — CID 107182775

IUPACN-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1ccc(C/C(N)=N/O)cc1
InChIInChI=1S/C16H23N3O2/c1-16(2)9-3-4-13(16)15(20)18-12-7-5-11(6-8-12)10-14(17)19-21/h5-8,13,21H,3-4,9-10H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyPMVCEAHHQPKCNG-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.74
Rot. Bonds4

About N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2,2-dimethylcyclopentane-1-carboxamide

N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107182775) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107182775
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1ccc(C/C(N)=N/O)cc1
InChIInChI=1S/C16H23N3O2/c1-16(2)9-3-4-13(16)15(20)18-12-7-5-11(6-8-12)10-14(17)19-21/h5-8,13,21H,3-4,9-10H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyPMVCEAHHQPKCNG-UHFFFAOYSA-N
XLogP2.74
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174844
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79763807
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]oxane-3-carboxamide
CID 76982068
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 76938619
N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174941
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920538
N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide
CID 113374820
N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107174661
N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174944
N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179808
N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181426

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2,2-dimethylcyclopentane-1-carboxamide (CID 107182775) is N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)Nc1ccc(C/C(N)=N/O)cc1.
What is the InChIKey of N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is PMVCEAHHQPKCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2)9-3-4-13(16)15(20)18-12-7-5-11(6-8-12)10-14(17)19-21/h5-8,13,21H,3-4,9-10H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2,2-dimethylcyclopentane-1-carboxamide?
N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107182775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).